3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide

C6H7Cl2N3O4S2 — CID 115580042

IUPAC3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
SMILESNS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C6H7Cl2N3O4S2/c7-4-1-3(16(9,12)13)2-5(8)6(4)11-17(10,14)15/h1-2,11H,(H2,9,12,13)(H2,10,14,15)
InChIKeyZIIRIQDZRJOGPW-UHFFFAOYSA-N
MW320.18 g/mol
LogP0.26
Rot. Bonds3

About 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide

3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide (PubChem CID 115580042) has the molecular formula C6H7Cl2N3O4S2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
PubChem CID115580042
Molecular FormulaC6H7Cl2N3O4S2
Molecular Weight320.18 g/mol
Exact Mass318.93
IUPAC Name3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
SMILESNS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C6H7Cl2N3O4S2/c7-4-1-3(16(9,12)13)2-5(8)6(4)11-17(10,14)15/h1-2,11H,(H2,9,12,13)(H2,10,14,15)
InChIKeyZIIRIQDZRJOGPW-UHFFFAOYSA-N
XLogP0.26
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
CID 114812536
1,3-dichloro-2-(sulfamoylamino)benzene
CID 16648290
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
3,5-dichloro-4-[[5-(2,6-dichloro-4-sulfamoylanilino)-1,3,4-thiadiazol-2-yl]amino]benzenesulfonamide
CID 10530975
3,4-dibromo-5-chlorobenzenesulfonamide
CID 171008956
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
CID 61128272
N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide
CID 102922062
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide (CID 115580042) is 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide is NS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide?
The InChIKey is ZIIRIQDZRJOGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O4S2/c7-4-1-3(16(9,12)13)2-5(8)6(4)11-17(10,14)15/h1-2,11H,(H2,9,12,13)(H2,10,14,15).
What are the key properties of 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide?
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide has a molecular weight of 320.18 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide is sourced from PubChem (CID 115580042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).